8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

C21H25FN4O — CID 3228667

IUPAC8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(NC2CC2)nc(N2C3CCC2CC(O)(c2ccc(F)cc2)C3)n1
InChIInChI=1S/C21H25FN4O/c1-13-10-19(24-16-6-7-16)25-20(23-13)26-17-8-9-18(26)12-21(27,11-17)14-2-4-15(22)5-3-14/h2-5,10,16-18,27H,6-9,11-12H2,1H3,(H,23,24,25)
InChIKeyGYKYZIPVZPJRRO-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.52
Rot. Bonds4

About 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 3228667) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID3228667
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(NC2CC2)nc(N2C3CCC2CC(O)(c2ccc(F)cc2)C3)n1
InChIInChI=1S/C21H25FN4O/c1-13-10-19(24-16-6-7-16)25-20(23-13)26-17-8-9-18(26)12-21(27,11-17)14-2-4-15(22)5-3-14/h2-5,10,16-18,27H,6-9,11-12H2,1H3,(H,23,24,25)
InChIKeyGYKYZIPVZPJRRO-UHFFFAOYSA-N
XLogP3.52
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 3228667) is 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1cc(NC2CC2)nc(N2C3CCC2CC(O)(c2ccc(F)cc2)C3)n1.
What is the InChIKey of 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GYKYZIPVZPJRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-13-10-19(24-16-6-7-16)25-20(23-13)26-17-8-9-18(26)12-21(27,11-17)14-2-4-15(22)5-3-14/h2-5,10,16-18,27H,6-9,11-12H2,1H3,(H,23,24,25).
What are the key properties of 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 368.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 3228667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).